(E)-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide

C20H20F3NO2 — CID 43060687

IUPAC(E)-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCOc1ccccc1C(C)N(C)C(=O)/C=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H20F3NO2/c1-14(17-6-4-5-7-18(17)26-3)24(2)19(25)13-10-15-8-11-16(12-9-15)20(21,22)23/h4-14H,1-3H3/b13-10+
InChIKeyZHUYAQYXMITZEW-JLHYYAGUSA-N
MW363.38 g/mol
LogP4.95
Rot. Bonds5

About (E)-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide

(E)-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 43060687) has the molecular formula C20H20F3NO2 and a molecular weight of 363.38 g/mol. Its IUPAC name is (E)-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID43060687
Molecular FormulaC20H20F3NO2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC Name(E)-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCOc1ccccc1C(C)N(C)C(=O)/C=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H20F3NO2/c1-14(17-6-4-5-7-18(17)26-3)24(2)19(25)13-10-15-8-11-16(12-9-15)20(21,22)23/h4-14H,1-3H3/b13-10+
InChIKeyZHUYAQYXMITZEW-JLHYYAGUSA-N
XLogP4.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Caproctamine
CID 10055202
6-(2-Methoxyphenyl)-1-(4-(trifluoromethoxy)benzyl)piperidin-2-one
CID 69082267
5-[4-[(Dimethylamino)methyl]-2,5-dimethoxyphenyl]-1,3,6-trimethylpyridin-2-one
CID 127048256
5-[4-[(Dimethylamino)methyl]-3-methoxyphenyl]-1,3-dimethyl-2(1h)-pyridinone
CID 127050492
2-cyano-5-(2-methoxyphenyl)-N-(1-phenylethyl)penta-2,4-dienamide
CID 6520369
N,N''''-(octane-1,8-diyl)bis(6-(ethyl(2-methoxybenzyl)amino)-N-methylhexanamide)
CID 10372514
Ethyl-[6-[8-[6-[ethyl-[(2-methoxyphenyl)methyl]-methylazaniumyl]hexanoyl-propan-2-ylamino]octyl-propan-2-ylamino]-6-oxohexyl]-[(2-methoxyphenyl)methyl]-methylazanium
CID 10996738
6-[ethyl-[(2-methoxyphenyl)methyl]amino]-N-[8-[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexanoyl-propan-2-ylamino]octyl]-N-propan-2-ylhexanamide
CID 11104646
Ethyl-[6-[8-[6-[ethyl-[(2-methoxyphenyl)methyl]-methylazaniumyl]hexanoyl-methylamino]octyl-methylamino]-6-oxohexyl]-[(2-methoxyphenyl)methyl]-methylazanium
CID 11125922
N-[(2-methoxyphenyl)-phenylmethyl]-N-propylprop-2-enamide
CID 24980402
6-[(2-methoxyphenyl)methyl-propan-2-ylamino]-N-[8-[6-[(2-methoxyphenyl)methyl-propan-2-ylamino]hexanoyl-methylamino]octyl]-N-methylhexanamide
CID 44385143
(E)-N-hydroxy-3-[4-[[(2-methoxyphenyl)methylamino]methyl]phenyl]prop-2-enamide
CID 155523907

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide (CID 43060687) is (E)-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide is COc1ccccc1C(C)N(C)C(=O)/C=C/c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (E)-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is ZHUYAQYXMITZEW-JLHYYAGUSA-N. The full InChI is InChI=1S/C20H20F3NO2/c1-14(17-6-4-5-7-18(17)26-3)24(2)19(25)13-10-15-8-11-16(12-9-15)20(21,22)23/h4-14H,1-3H3/b13-10+.
What are the key properties of (E)-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 363.38 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 43060687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).